General Information of the Compound
| Compound ID |
CP0578047
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(3-fluoro-2-methylanilino)-4-[(8-hydroxy-1,1-dioxo-3,4-dihydro-2H-thiochromen-7-yl)amino]cyclobut-3-ene-1,2-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H17FN2O5S
|
||||||||||||||||||
| Molecular Weight |
416.43
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(F)cccc1Nc1c(Nc2ccc3CCCS(=O)(=O)c3c2O)c(=O)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H17FN2O5S/c1-10-12(21)5-2-6-13(10)22-15-16(19(26)18(15)25)23-14-8-7-11-4-3-9-29(27,28)20(11)17(14)24/h2,5-8,22-24H,3-4,9H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
JLYGCBHAAJYMQU-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound